N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-7-[2-(2-propoxyphenyl)ethoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide

Systemtic Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-bis(oxidanylidene)-7-[2-(2-propoxyphenyl)ethoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Openeye Name: N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-[2-(2-propoxyphenyl)ethoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide CAS Name: N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1,1-dioxo-7-[2-(2-propoxyphenyl)ethoxy]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide IUPAC Name: N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-[2-(2-propoxyphenyl)ethoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxamide Traditional Name: 1,1-diketo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-[2-(2-propoxyphenyl)ethoxy]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxamide Formula: C35H42N2O6S MolecularWeight: 618.78278

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1CCOC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5

Isomeric SMILES

CCCOC1=CC=CC=C1CCOC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5

InChI

InChI=1S/C35H42N2O6S/c1-3-18-43-33-7-5-4-6-27(33)14-21-42-32-12-13-34-29(24-32)23-28(17-22-44(34,39)40)35(38)36-30-10-8-26(9-11-30)25-37(2)31-15-19-41-20-16-31/h4-13,23-24,31H,3,14-22,25H2,1-2H3,(H,36,38)